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Electronic structure of palladium dimer from density functional theory

✍ Scribed by Nakao, Taketoshi; Dixon, David A.; Chen, Han


Book ID
120432003
Publisher
American Chemical Society
Year
1993
Tongue
English
Weight
436 KB
Volume
97
Category
Article
ISSN
0022-3654

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πŸ“œ SIMILAR VOLUMES


Density Functional Theory of Electronic
✍ Kohn, W.; Becke, A. D.; Parr, R. G. πŸ“‚ Article πŸ“… 1996 πŸ› American Chemical Society 🌐 English βš– 403 KB

Density functional theory (DFT) is a (in principle exact) theory of electronic structure, based on the electron density distribution n(r), instead of the many-electron wave function Ξ¨(r 1 ,r 2 ,r 3 ,...). Having been widely used for over 30 years by physicists working on the electronic structure of